| CAS Number | 116434-90-3 |
| Catalog Number | AG01DV0N(AGN-PC-0JKMUC) |
| Chemical Name | 3,4,5-Tribromophenol |
| IUPAC Name | 3,4,5-tribromophenol |
| InChI | InChI=1S/C6H3Br3O/c7-4-1-3(10)2-5(8)6(4)9/h1-2,10H |
| InChI Key | KAVNMOZXRFSVPM-UHFFFAOYSA-N |
| MDL Number | MFCD03658866 |
| Molecular Formula | C6H3Br3O |
| Molecular Weight | 330.7994 |
| SMILES | OC1=CC(Br)=C(Br)C(Br)=C1 |
| Synonyms | 3,4,5-tribromophenol,
116434-90-3,
AC1L1OOU,
SCHEMBL592990,
1-Oxy-3,4,5-Tribrombenzol,
ZINC2013505,
AKOS026727778,
|
| Complexity | 108 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 329.771g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 330.801g/mol |
| Monoisotopic Mass | 327.773g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
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Certificate of Analysis
Lot Number